UCSF

ZINC40138306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.46 9.36 -21.24 2 8 0 102 445.475 8
Hi High (pH 8-9.5) 4.46 10.37 -69.17 1 8 -1 105 444.467 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )